2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid

C14H21NO3 — CID 115005474

IUPAC2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
SMILESCCc1ccc(OC)c(CCN(C)CC(=O)O)c1
InChIInChI=1S/C14H21NO3/c1-4-11-5-6-13(18-3)12(9-11)7-8-15(2)10-14(16)17/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,17)
InChIKeyKGQUIBFTSLJRIW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.82
Rot. Bonds7

About 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid

2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid (PubChem CID 115005474) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
PubChem CID115005474
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
SMILESCCc1ccc(OC)c(CCN(C)CC(=O)O)c1
InChIInChI=1S/C14H21NO3/c1-4-11-5-6-13(18-3)12(9-11)7-8-15(2)10-14(16)17/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,17)
InChIKeyKGQUIBFTSLJRIW-UHFFFAOYSA-N
XLogP1.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112518374
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
CID 94270324
2-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112519079
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile
CID 115131364
3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
CID 115122416
3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694459
5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236595
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115128018
4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide
CID 116845108
1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 70019238
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 117041938

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid?
The IUPAC name of 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid (CID 115005474) is 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid is CCc1ccc(OC)c(CCN(C)CC(=O)O)c1.
What is the InChIKey of 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid?
The InChIKey is KGQUIBFTSLJRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-11-5-6-13(18-3)12(9-11)7-8-15(2)10-14(16)17/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid?
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid is sourced from PubChem (CID 115005474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).